SCHEMBL5687

SCHEMBL5687

CCc1ccc(CCN2CC[C@]3(CC[C@@]4(CC3)CO4)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.43
OPRM1 P35372 12/20 0.42
OPRL1 P41146 2/20 0.42
EGLN1 Q9GZT9 1/20 0.36
SIGMAR1 Q99720 11/20 0.36
KCNH2 Q12809 7/20 0.35
KCNJ1 P48048 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
BDKRB2 P30411 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1590390 1.00 CCR3 (0.43) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL10262 0.83 CCR3 (0.46) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL9967 0.81 CCR3 (0.44) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL4735 0.81 CCR3 (0.44) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL12701761 0.81 CCR3 (0.44) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL10839 0.80 CCR3 (0.42) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL10840 0.80 CCR3 (0.42) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL1590437 0.79 EGLN1 (0.56) EGLN1
SCHEMBL1590766 0.78 CCR3 (0.41) CCR3OPRM1OPRL1EGLN1SIGMAR1
SCHEMBL1590764 0.78 CCR3 (0.41) CCR3OPRM1OPRL1EGLN1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE CCR3 2793/4885OPRM1 4101/4885OPRL1 481/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.